(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide

C16H16BrNO2 — CID 2319129

IUPAC(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1
InChIInChI=1S/C16H16BrNO2/c1-11(2)12-3-5-13(6-4-12)18-16(19)10-8-14-7-9-15(17)20-14/h3-11H,1-2H3,(H,18,19)/b10-8+
InChIKeyRNHHBGQJZFTQIV-CSKARUKUSA-N
MW334.21 g/mol
LogP4.82
Rot. Bonds4

About (E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide

(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 2319129) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID2319129
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1
InChIInChI=1S/C16H16BrNO2/c1-11(2)12-3-5-13(6-4-12)18-16(19)10-8-14-7-9-15(17)20-14/h3-11H,1-2H3,(H,18,19)/b10-8+
InChIKeyRNHHBGQJZFTQIV-CSKARUKUSA-N
XLogP4.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide
CID 2666173
(E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide
CID 46693671
3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 47093671
(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 92671335
3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide
CID 4811542
(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6314090
(E)-3-(5-bromofuran-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)prop-2-enamide
CID 2313865
3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 79031574
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
(2S)-2-[3-(5-bromofuran-2-yl)prop-2-enoylamino]-N,4-dimethylpentanamide
CID 154775797

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide (CID 2319129) is (E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is RNHHBGQJZFTQIV-CSKARUKUSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11(2)12-3-5-13(6-4-12)18-16(19)10-8-14-7-9-15(17)20-14/h3-11H,1-2H3,(H,18,19)/b10-8+.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 334.21 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 2319129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).